[6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol

C34H39N3O3 — CID 170775985

IUPAC[6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(CO)c(C3CCN(c4cccc(C)c4)CC3)n2)cc1
InChIInChI=1S/C34H39N3O3/c1-25-5-4-6-30(21-25)36-19-17-28(18-20-36)34-29(24-38)11-16-33(35-34)37(22-26-7-12-31(39-2)13-8-26)23-27-9-14-32(40-3)15-10-27/h4-16,21,28,38H,17-20,22-24H2,1-3H3
InChIKeyNSHRLXCGBUEGAH-UHFFFAOYSA-N
MW537.70 g/mol
LogP6.49
Rot. Bonds10

About [6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol

[6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol (PubChem CID 170775985) has the molecular formula C34H39N3O3 and a molecular weight of 537.70 g/mol. Its IUPAC name is [6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol
PubChem CID170775985
Molecular FormulaC34H39N3O3
Molecular Weight537.70 g/mol
Exact Mass537.30
IUPAC Name[6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(CO)c(C3CCN(c4cccc(C)c4)CC3)n2)cc1
InChIInChI=1S/C34H39N3O3/c1-25-5-4-6-30(21-25)36-19-17-28(18-20-36)34-29(24-38)11-16-33(35-34)37(22-26-7-12-31(39-2)13-8-26)23-27-9-14-32(40-3)15-10-27/h4-16,21,28,38H,17-20,22-24H2,1-3H3
InChIKeyNSHRLXCGBUEGAH-UHFFFAOYSA-N
XLogP6.49
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine
CID 175821321
6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170704626
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994410
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 108990024
2-hydroxy-2-(4-methoxyphenyl)-N-[1-(3-methylphenyl)piperidin-4-yl]acetamide
CID 118763996
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 61252606
4-methoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110413945
N-[(4-methoxyphenyl)methyl]-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112951191
2-(4-methoxyphenyl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 35875948
7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline
CID 110434228

Frequently Asked Questions

What is the IUPAC name of [6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol?
The IUPAC name of [6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol (CID 170775985) is [6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol?
The canonical SMILES for [6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol is COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(CO)c(C3CCN(c4cccc(C)c4)CC3)n2)cc1.
What is the InChIKey of [6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol?
The InChIKey is NSHRLXCGBUEGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O3/c1-25-5-4-6-30(21-25)36-19-17-28(18-20-36)34-29(24-38)11-16-33(35-34)37(22-26-7-12-31(39-2)13-8-26)23-27-9-14-32(40-3)15-10-27/h4-16,21,28,38H,17-20,22-24H2,1-3H3.
What are the key properties of [6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol?
[6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol has a molecular weight of 537.70 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 170775985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).